General Information of the Compound
| Compound ID |
CP0099532
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| Compound Name |
US8680275, 10
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| Structure |
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| Formula |
C28H26N4O
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| Molecular Weight |
434.543
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| Canonical SMILES |
Cc1ccc(cc1)-c1ccccc1C(=O)N1CCC2CN(C2C1)c1cnc2ccccc2n1
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| InChI |
InChI=1S/C28H26N4O/c1-19-10-12-20(13-11-19)22-6-2-3-7-23(22)28(33)31-15-14-21-17-32(26(21)18-31)27-16-29-24-8-4-5-9-25(24)30-27/h2-13,16,21,26H,14-15,17-18H2,1H3
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| InChIKey |
WBLFAGDVIJVAMF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound